SCHEMBL11447343

SCHEMBL11447343

CC(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccccc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.52
▸ ADRB1 P08588 2/20 0.52
▸ ADRB3 P13945 2/20 0.52
▸ ADRA1D P25100 2/20 0.52
▸ ADRA1A P35348 2/20 0.52
▸ ADRA1B P35368 2/20 0.52
▸ MAPT P10636 4/20 0.50
▸ TSHR P16473 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ HTR1A P08908 3/20 0.48
▸ HTR7 P34969 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HTT P42858 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11446599 0.91 ADRA1D (0.51) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL11446384 0.90 ADRA1D (0.43) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL11446219 0.90 ADRA1D (0.45) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL11456957 0.90 ALDH1A1 (0.47) ADRB2ADRB1ADRB3ADRA1DADRA1A
Hydrochloric Acid SCHEMBL11457400 0.90 ADRA1D (0.53) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL11446299 0.89 HTR7 (0.62) MAPTTSHRNPSR1HTR1AHTR7
SCHEMBL11446294 0.87 ADRB1 (0.54) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL11447167 0.87 ADRA1D (0.48) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL11454790 0.87 HTR1A (0.49) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL11447082 0.86 IGF1R (0.46) ADRB2ADRB1ADRB3ADRA1DADRA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4205173-A 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof PENNWALT CORPORATION (US) 1980-05-27 — — US disclosed
US-4085107-A ANALGESICS PENNWALT CORPORATION (US) 1978-04-18 — — US disclosed
US-4060526-A 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof PENNWALT CORPORATION (US) 1977-11-29 — — US disclosed
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